4-chloro-2-[(4-methylphenyl)sulfonylamino]benzoyl chloride

C14H11Cl2NO3S — CID 12750523

IUPAC4-chloro-2-[(4-methylphenyl)sulfonylamino]benzoyl chloride
SMILESCc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)Cl)cc1
InChIInChI=1S/C14H11Cl2NO3S/c1-9-2-5-11(6-3-9)21(19,20)17-13-8-10(15)4-7-12(13)14(16)18/h2-8,17H,1H3
InChIKeyJGEFIDTYBNHKRN-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.83
Rot. Bonds4

About 4-chloro-2-[(4-methylphenyl)sulfonylamino]benzoyl chloride

4-chloro-2-[(4-methylphenyl)sulfonylamino]benzoyl chloride (PubChem CID 12750523) has the molecular formula C14H11Cl2NO3S and a molecular weight of 344.22 g/mol. Its IUPAC name is 4-chloro-2-[(4-methylphenyl)sulfonylamino]benzoyl chloride.

Molecular Properties

Compound Name4-chloro-2-[(4-methylphenyl)sulfonylamino]benzoyl chloride
PubChem CID12750523
Molecular FormulaC14H11Cl2NO3S
Molecular Weight344.22 g/mol
Exact Mass342.98
IUPAC Name4-chloro-2-[(4-methylphenyl)sulfonylamino]benzoyl chloride
SMILESCc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)Cl)cc1
InChIInChI=1S/C14H11Cl2NO3S/c1-9-2-5-11(6-3-9)21(19,20)17-13-8-10(15)4-7-12(13)14(16)18/h2-8,17H,1H3
InChIKeyJGEFIDTYBNHKRN-UHFFFAOYSA-N
XLogP3.83
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-benzoyl-5-chlorophenyl)-4-methylbenzenesulfonamide
CID 19133397
methyl 4-chloro-2-[[4-(methylsulfamoyl)phenyl]sulfonylamino]benzoate
CID 39977655
2-[(4-tert-butylphenyl)sulfonylamino]-5-chlorobenzoyl chloride
CID 86618346
ethyl 5-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 139957908
N-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]-4-methylbenzenesulfonamide
CID 2796859
N-[4-chloro-2-(piperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 169371025
N-[4-chloro-2-(chloromethyl)phenyl]-4-methylbenzenesulfonamide
CID 163288986
N-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-methylbenzenesulfonamide
CID 169370059
2-chloro-N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 43909818
2-chloro-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43875630
4-chloro-2-[(3,4-dimethylphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 39000922
2,4-dichloro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 1053036

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-methylphenyl)sulfonylamino]benzoyl chloride?
The IUPAC name of 4-chloro-2-[(4-methylphenyl)sulfonylamino]benzoyl chloride (CID 12750523) is 4-chloro-2-[(4-methylphenyl)sulfonylamino]benzoyl chloride.
What is the SMILES notation for 4-chloro-2-[(4-methylphenyl)sulfonylamino]benzoyl chloride?
The canonical SMILES for 4-chloro-2-[(4-methylphenyl)sulfonylamino]benzoyl chloride is Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)Cl)cc1.
What is the InChIKey of 4-chloro-2-[(4-methylphenyl)sulfonylamino]benzoyl chloride?
The InChIKey is JGEFIDTYBNHKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO3S/c1-9-2-5-11(6-3-9)21(19,20)17-13-8-10(15)4-7-12(13)14(16)18/h2-8,17H,1H3.
What are the key properties of 4-chloro-2-[(4-methylphenyl)sulfonylamino]benzoyl chloride?
4-chloro-2-[(4-methylphenyl)sulfonylamino]benzoyl chloride has a molecular weight of 344.22 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(4-methylphenyl)sulfonylamino]benzoyl chloride is sourced from PubChem (CID 12750523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).